| /dports/biology/protomol/protomol/framework/base/ |
| H A D | reducedHessBond.cpp | 5 const Vector3D& atom_j, in reducedHessBond()
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| H A D | ReducedHessAngle.cpp | 16 const Vector3D& atom_j, //position of atom j in ReducedHessAngle()
37 const Vector3D& atom_j, //position of atom j in evaluate()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/tests/ |
| H A D | shake.cpp | 79 int atom_j = iatom[ll * constraintStride + 2]; in computeDisplacements() local
100 int atom_j = iatom[ll * constraintStride + 2]; in computeHalfOfReducedMasses() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/REAXFF/ |
| H A D | reaxff_forces.cpp | 141 reax_atom *atom_i, *atom_j; in Init_Forces_noQEq() local
268 reax_atom *atom_i, *atom_j; in Estimate_Storages() local
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| /dports/math/cppad/CppAD-20210000.8/include/cppad/local/sweep/ |
| H A D | rev_jac.hpp | 178 size_t atom_index=0, atom_old=0, atom_m=0, atom_n=0, atom_i=0, atom_j=0; in rev_jac() local
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| H A D | reverse.hpp | 210 size_t atom_index=0, atom_old=0, atom_m=0, atom_n=0, atom_i=0, atom_j=0; in reverse() local
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| H A D | rev_hes.hpp | 170 size_t atom_index=0, atom_old=0, atom_m=0, atom_n=0, atom_i=0, atom_j=0; in rev_hes() local
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| H A D | for_jac.hpp | 144 size_t atom_index=0, atom_old=0, atom_m=0, atom_n=0, atom_i=0, atom_j=0; in for_jac() local
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| H A D | forward0.hpp | 220 size_t atom_index=0, atom_old=0, atom_m=0, atom_n=0, atom_i=0, atom_j=0; in forward0() local
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| H A D | forward1.hpp | 238 size_t atom_index=0, atom_old=0, atom_m=0, atom_n=0, atom_i=0, atom_j=0; in forward1() local
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| H A D | for_hes.hpp | 207 size_t atom_index=0, atom_old=0, atom_m=0, atom_n=0, atom_i=0, atom_j=0; in for_hes() local
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| H A D | forward2.hpp | 155 size_t atom_index=0, atom_old=0, atom_m=0, atom_n=0, atom_i=0, atom_j=0; in forward2() local
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| /dports/math/cppad/CppAD-20210000.8/include/cppad/local/optimize/ |
| H A D | get_par_usage.hpp | 153 size_t atom_index=0, atom_old=0, atom_m=0, atom_n=0, atom_i=0, atom_j=0; in get_par_usage() local
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| H A D | get_op_usage.hpp | 288 size_t atom_index=0, atom_old=0, atom_m=0, atom_n=0, atom_i=0, atom_j=0; in get_op_usage() local
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| H A D | optimize_run.hpp | 590 size_t atom_j = 0; in optimize_run() local
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| /dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
| H A D | lal_neighbor_gpu.cu | 258 numtyp4 atom_i, atom_j; in calc_neigh_list_cell() local
395 numtyp4 atom_i, atom_j; in calc_neigh_list_cell() local
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| /dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
| H A D | reaxff_forces_omp.cpp | 232 reax_atom *atom_i, *atom_j; in Init_Forces_noQEq_OMP() local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/ThreeBodyCluster_KP__MD_527786671773_000/ |
| H A D | ThreeBodyCluster.c | 125 int atom_j; in compute_routine() local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/ThreeBodyCluster_BH__MD_043141570610_000/ |
| H A D | ThreeBodyCluster.c | 125 int atom_j; in compute_routine() local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/ThreeBodyBondOrder_PPM__MD_184422512875_000/ |
| H A D | ThreeBodyBondOrder.c | 128 int atom_j; in compute_routine() local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/ThreeBodyCluster_Gong__MD_065419309200_000/ |
| H A D | ThreeBodyCluster.c | 125 int atom_j; in compute_routine() local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/ThreeBodyCluster_SRS__MD_814842199451_000/ |
| H A D | ThreeBodyCluster.c | 125 int atom_j; in compute_routine() local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_tb_coulomb.F | 83 … INTEGER :: atom_i, atom_j, blk, ewald_type, handle, & local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_tb_coulomb.F | 83 … INTEGER :: atom_i, atom_j, blk, ewald_type, handle, & local
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/ThreeBodyBondOrder_WR__MD_817691861922_000/ |
| H A D | ThreeBodyBondOrder.c | 132 int atom_j; in compute_routine() local
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